@MOLECULE methyl 7-{(1r,2r,3r)-2-[(1e,3r)-3-hydroxy-4-phenoxy-1-buten-1-yl]-3-methyl-5-oxocyclopentyl}-4,5-heptadienoate 59 60 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -1.0733 2.4672 -0.2416 C.3 1 UNL1 -0.1425 2 C -2.5412 2.1167 0.0933 C.3 1 UNL1 -0.2236 3 C -1.1304 3.7722 -1.0911 C.3 1 UNL1 -0.0745 4 C 1.3440 -0.3668 -1.3219 C.3 1 UNL1 0.1415 5 C 4.7714 -0.5422 1.7279 C.ar 1 UNL1 -0.2522 6 C 5.5018 0.4077 -0.4045 C.ar 1 UNL1 -0.3034 7 C 6.0271 -0.2900 2.2604 C.ar 1 UNL1 -0.0787 8 C 6.7550 0.6540 0.1583 C.ar 1 UNL1 -0.0720 9 C 7.0201 0.3103 1.4803 C.ar 1 UNL1 -0.2257 10 C -2.6917 1.5311 1.5016 C.3 1 UNL1 -0.2488 11 C 2.8770 -0.1454 -1.3293 C.3 1 UNL1 -0.1069 12 C -3.8421 -2.7723 0.9593 C.3 1 UNL1 -0.2381 13 C -2.3598 -3.1368 0.8042 C.3 1 UNL1 -0.3462 14 C 0.1064 4.6351 -0.8693 C.3 1 UNL1 -0.4556 15 C -0.5251 -5.3527 -1.4533 C.3 1 UNL1 -0.1677 16 H 0.9543 0.4107 -3.1081 H 1 UNL1 0.3131 17 C 4.5238 -0.1842 0.3922 C.ar 1 UNL1 0.2608 18 O -4.4488 3.5864 0.2664 O.2 1 UNL1 -0.4509 19 O -2.9502 -4.3102 -1.2470 O.2 1 UNL1 -0.5033 20 C -2.4246 4.4852 -0.6617 C.3 1 UNL1 -0.4092 21 O 0.9178 -0.4593 -2.6610 O.3 1 UNL1 -0.5376 22 C -2.1657 -4.0338 -0.3788 C.2 1 UNL1 0.6029 23 O 3.2544 -0.4778 0.0040 O.3 1 UNL1 -0.3430 24 O -0.8974 -4.5263 -0.3566 O.3 1 UNL1 -0.4213 25 C -3.3040 3.4217 -0.0530 C.2 1 UNL1 0.4794 26 C -0.4217 1.3597 -1.0021 C.2 1 UNL1 -0.1452 27 C 0.6655 0.7260 -0.5593 C.2 1 UNL1 -0.2348 28 C -3.9836 0.7790 1.5988 C.2 1 UNL1 -0.1889 29 C -3.9869 -1.7850 2.0758 C.2 1 UNL1 -0.1994 30 C -4.0061 -0.4999 1.8505 C.1 1 UNL1 -0.0312 31 H -0.5194 2.6809 0.7036 H 1 UNL1 0.1539 32 H -2.9454 1.3872 -0.6534 H 1 UNL1 0.1807 33 H -1.2007 3.5065 -2.1717 H 1 UNL1 0.1382 34 H -2.2342 5.2842 0.0790 H 1 UNL1 0.1772 35 H -2.9265 4.9893 -1.5057 H 1 UNL1 0.1737 36 H -0.9028 1.0949 -1.9455 H 1 UNL1 0.1565 37 H -1.8275 0.8701 1.7260 H 1 UNL1 0.1550 38 H -2.6620 2.3332 2.2678 H 1 UNL1 0.1520 39 H 1.1368 0.9579 0.3971 H 1 UNL1 0.1676 40 H 1.0214 4.0950 -1.1418 H 1 UNL1 0.1498 41 H 0.0714 5.5473 -1.4767 H 1 UNL1 0.1480 42 H 0.2116 4.9438 0.1775 H 1 UNL1 0.1493 43 H 1.0878 -1.3775 -0.9133 H 1 UNL1 0.1737 44 H -4.8878 1.3695 1.4251 H 1 UNL1 0.1883 45 H 3.3774 -0.8339 -2.0320 H 1 UNL1 0.1473 46 H 3.1404 0.8976 -1.5648 H 1 UNL1 0.1312 47 H 3.9853 -1.0073 2.3163 H 1 UNL1 0.1720 48 H 5.3133 0.6719 -1.4381 H 1 UNL1 0.1613 49 H -4.0539 -2.2015 3.0797 H 1 UNL1 0.1640 50 H 6.2425 -0.5610 3.2940 H 1 UNL1 0.1502 51 H 7.5317 1.1196 -0.4481 H 1 UNL1 0.1472 52 H 7.9993 0.5057 1.9089 H 1 UNL1 0.1550 53 H -4.2350 -2.3644 0.0018 H 1 UNL1 0.1677 54 H -4.4491 -3.6805 1.1512 H 1 UNL1 0.1549 55 H -1.7468 -2.2165 0.6726 H 1 UNL1 0.1845 56 H -1.9699 -3.6148 1.7275 H 1 UNL1 0.1785 57 H -0.5903 -4.7870 -2.3894 H 1 UNL1 0.1422 58 H 0.5116 -5.6206 -1.2199 H 1 UNL1 0.1454 59 H -1.1680 -6.2378 -1.4966 H 1 UNL1 0.1378 @BOND 1 16 21 1 2 21 4 1 3 57 15 1 4 33 3 1 5 45 11 1 6 36 26 1 7 46 11 1 8 35 20 1 9 59 15 1 10 41 14 1 11 15 58 1 12 15 24 1 13 48 6 1 14 11 4 1 15 11 23 1 16 4 43 1 17 4 27 1 18 19 22 2 19 40 14 1 20 3 14 1 21 3 20 1 22 3 1 1 23 26 27 2 24 26 1 1 25 14 42 1 26 20 25 1 27 20 34 1 28 32 2 1 29 27 39 1 30 51 8 1 31 6 8 ar 32 6 17 ar 33 22 24 1 34 22 13 1 35 1 2 1 36 1 31 1 37 25 2 1 38 25 18 2 39 53 12 1 40 23 17 1 41 2 10 1 42 8 9 ar 43 17 5 ar 44 55 13 1 45 13 12 1 46 13 56 1 47 12 54 1 48 12 29 1 49 44 28 1 50 9 52 1 51 9 7 ar 52 10 28 1 53 10 37 1 54 10 38 1 55 28 30 2 56 5 7 ar 57 5 47 1 58 30 29 2 59 29 49 1 60 7 50 1